Brucine sulfate heptahydrate
TL;DR: Brucine sulfate heptahydrate (CAS 60583-39-3) is a chemical compound with molecular formula C46H68N4O19S and molecular weight 1012.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((4aR,5aS,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one);sulfuric acid;heptahydrate
Also Known As: Brucine sulfate heptahydrate, 2,3-Dimethoxystrychnidin-10-one sulfate (1:1) heptahydrate, Strychnidin-10-one, 2,3-dimethoxy-, sulfate (1:1), heptahydrate
| Molecular Formula | C46H68N4O19S |
|---|---|
| Molecular Weight | 1012.42 g/mol |
| LogP | -2.2063 |
| Topological Polar Surface Area | 397.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 1012.41986 |
| Heavy Atoms | 70 |
| Complexity | 2365.543 |
Chemical Identifiers
| CAS Number | 60583-39-3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.COC1=C(C=C2C(=C1)C34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.O.O.O.O.O.O.O.OS(=O)(=O)O |
Product Overview
Brucine sulfate heptahydrate (CAS 60583-39-3), with molecular formula C46H68N4O19S and molecular weight 1012.42 g/mol. IUPAC: bis((4aR,5aS,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one);sulfuric acid;heptahydrate.
Chemical Property Profile of Brucine sulfate heptahydrate
Property Insights of Brucine sulfate heptahydrate
The XLogP value of -2.2063 indicates that Brucine sulfate heptahydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 397.58 Ų indicates high polarity, suggesting Brucine sulfate heptahydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brucine sulfate heptahydrate has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Brucine sulfate heptahydrate?
The CAS number of Brucine sulfate heptahydrate is 60583-39-3.
What is the molecular formula of Brucine sulfate heptahydrate?
The molecular formula of Brucine sulfate heptahydrate is C46H68N4O19S.
What is the molecular weight of Brucine sulfate heptahydrate?
The molecular weight of Brucine sulfate heptahydrate is 1012.42 g/mol.
Where can I buy Brucine sulfate heptahydrate?
You can request a quote for Brucine sulfate heptahydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brucine sulfate heptahydrate?
Yes, KEHONG BIO provides custom synthesis services for Brucine sulfate heptahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.